Information card for entry 7041979

Structure parameters

• Formula: C55 H50 Cl2 N2 P2 Pt S4 W
• Calculated formula: C55 H50 Cl2 N2 P2 Pt S4 W
• SMILES: [W]12345([Pt]6([S]1c1c(N4c4c(S2)cc(cc4)C)ccc(c1)C)[P](CC[P]6(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)Sc1c(N5c2c(S3)cc(cc2)C)ccc(c1)C.C(Cl)Cl
• Title of publication: Heterobimetallic complexes of palladium and platinum containing a redox-active W[SNS]2 metalloligand.
• Authors of publication: Rosenkoetter, Kyle E.; Ziller, Joseph W.; Heyduk, Alan F.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 17
• Pages of publication: 5503 - 5507
• a: 14.0874 ± 0.0008 Å
• b: 15.639 ± 0.0009 Å
• c: 24.3593 ± 0.0014 Å
• α: 90°
• β: 104.696 ± 0.0006°
• γ: 90°
• Cell volume: 5191.1 ± 0.5 ų
• Cell temperature: 143 ± 2 K
• Ambient diffraction temperature: 143 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0241
• Residual factor for significantly intense reflections: 0.0203
• Weighted residual factors for significantly intense reflections: 0.0469
• Weighted residual factors for all reflections included in the refinement: 0.0482
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No